SCHEMBL6408481

SCHEMBL6408481

CC(C)(C)OC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.41
CCR5 P51681 5/20 0.40
CCR2 P41597 2/20 0.38
UTS2R Q9UKP6 4/20 0.38
RORC P51449 1/20 0.37
WDR91 A4D1P6 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AKT1 P31749 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6412914 0.93 CCR2 (0.44) CCR5CCR2CYP1A2CYP3A4CYP2D6
SCHEMBL6408483 0.93 CCR2 (0.44) CCR5CCR2CYP1A2CYP3A4CYP2D6
SCHEMBL6413430 0.92 CCR5 (0.41) CCR5
SCHEMBL6412634 0.92 CCR5 (0.42) CCR5CCR2UTS2RRORCWDR91
SCHEMBL6408529 0.92 CCR5 (0.40) DRD2CCR5CCR2
Hydrochloric Acid SCHEMBL6412630 0.91 CCR5 (0.41) CCR5CCR2UTS2RRORCWDR91
SCHEMBL6409940 0.91 CCR5 (0.42) DRD2CCR5CCR2
SCHEMBL6409308 0.90 DRD2 (0.42) DRD2UTS2RWDR91AKT1
Hydrochloric Acid SCHEMBL6409876 0.89 CCR5 (0.43) CCR5CCR2UTS2RRORCWDR91
SCHEMBL6409321 0.89 UTS2R (0.42) DRD2CCR5UTS2RWDR91

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 US claimed
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 DRD2 1775/4885CCR5 4/4885CCR2 5/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.